Geometry & MOs

Info

ID:	145400
PubChem CID:	53516777
Reduced:	N3O4C17H19 (1)
Stoich.:	A3B4C17D19 (1)
Weight, g/mol:	323.084081
ΔH_f, kcal/mol:	-34.1
Dipole, Da:	8.09
IP(EA), eV:	-9.54(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethyl-2-(6-pyrazol-1-ylpyridin-3-yl)-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CC1N(CC2CCOC2)C(=O)C3=CC4=C(N3)C(=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations